%chk=000252384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252384

0 1
O 0.552406 2.108169 0.552264
O 3.586295 -0.993162 -0.636983
O 0.917170 1.219583 -1.496906
O 4.008297 0.969443 0.416323
O 2.074906 -1.894962 2.640563
O -6.218170 -1.295394 0.019614
O -4.972310 -2.088628 1.598763
N 1.655074 0.254589 1.939924
N -2.246047 -2.043977 1.475502
N -5.128565 -1.543813 0.507319
C 1.728543 0.015933 0.489969
C 1.106895 -1.323443 0.031663
C -0.327269 -1.468359 0.371281
C -1.454082 -1.058656 -0.443694
C -2.641505 -1.437090 0.289325
C -0.832763 -2.064175 1.515693
C 1.034454 1.158368 -0.297240
C 3.241228 0.092927 0.104512
C -1.586873 -0.442582 -1.690105
C -3.929853 -1.175020 -0.233570
C -2.864721 -0.195633 -2.197807
C 1.854335 -0.731525 2.921799
C -4.019078 -0.552813 -1.486896
C -0.110269 3.287068 -0.028170
C 4.977549 -1.100213 -1.101535
C 1.765741 -0.208516 4.326923
C 0.931148 4.235856 -0.574399
C 5.196670 -0.170371 -2.273432
H 1.697598 -2.160095 0.493218
H 1.265685 -1.433000 -1.067130
H -0.292845 -2.505990 2.341773
H 1.492929 1.229869 2.214726
H -2.880464 -2.415032 2.173781
H -0.695275 -0.150479 -2.257059
H -2.971215 0.283186 -3.171263
H -5.010425 -0.347851 -1.907434
H -0.639577 3.673024 0.862631
H -0.825159 2.938705 -0.794480
H 5.011080 -2.171563 -1.374107
H 5.645999 -0.887078 -0.249020
H 0.798879 0.263860 4.546519
H 1.891946 -1.037865 5.043688
H 2.555817 0.523524 4.549250
H 0.489057 5.200355 -0.854045
H 1.419014 3.826047 -1.472437
H 1.726266 4.434709 0.157500
H 6.165041 -0.352715 -2.755132
H 5.178676 0.884148 -1.958481
H 4.416469 -0.290561 -3.037602


%chk=000252384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252384

0 1
O 0.537303 2.050489 0.483759
O 3.585602 -0.989320 -0.763104
O 1.139716 1.120778 -1.566228
O 4.043015 0.723958 0.749474
O 2.786380 -1.668467 2.586876
O -6.403834 -1.191070 0.058269
O -5.081428 -2.024026 1.725126
N 1.518018 0.161852 1.942872
N -2.361738 -2.017600 1.505833
N -5.243814 -1.466071 0.552039
C 1.706302 -0.089593 0.511399
C 1.035800 -1.435443 0.034926
C -0.427264 -1.540489 0.374231
C -1.564366 -1.115940 -0.433741
C -2.757102 -1.433156 0.316375
C -0.961284 -2.086573 1.541660
C 1.114492 1.076010 -0.317150
C 3.247490 -0.072586 0.207879
C -1.693235 -0.523813 -1.714080
C -4.042591 -1.148561 -0.210535
C -2.984006 -0.252250 -2.228200
C 2.107792 -0.639354 2.901160
C -4.151608 -0.554916 -1.488842
C -0.059294 3.240568 -0.214631
C 5.028570 -1.020668 -1.175588
C 1.912603 -0.194347 4.344244
C 1.016458 4.291007 -0.493223
C 5.301464 0.031606 -2.252390
H 1.605571 -2.243962 0.520696
H 1.202888 -1.513729 -1.051555
H -0.442122 -2.533895 2.386939
H 1.016403 1.014405 2.198739
H -3.040505 -2.340811 2.198440
H -0.802713 -0.275811 -2.301250
H -3.085812 0.199609 -3.219871
H -5.149566 -0.345010 -1.883337
H -0.822166 3.594555 0.496225
H -0.537631 2.883716 -1.142911
H 5.160736 -2.047876 -1.549679
H 5.646835 -0.857873 -0.275955
H 1.083682 0.523337 4.470433
H 1.728580 -1.078664 4.975635
H 2.844637 0.279236 4.702036
H 0.546345 5.189059 -0.934771
H 1.765243 3.909090 -1.206650
H 1.528823 4.591080 0.436532
H 6.343324 -0.068033 -2.609423
H 5.171623 1.049652 -1.849280
H 4.625087 -0.101296 -3.113806


